%chk=000063413.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063413

0 1
 O    2.705300     -0.2151000      -1.631800    
 O   -2.597400      -2.722100      0.2802000    
 O   -6.304000       2.348000     -0.1948000    
 N    3.571900       1.862900     -0.3280000    
 N   0.8799000     -0.5555000     -0.1936000    
 N   -1.579600     -0.6187000      0.1294000    
 C    4.363600      0.8913000      0.4396000    
 C    3.859800       3.239100      0.1001000    
 C    5.862500       1.148100      0.2754000    
 C    5.342100       3.572700     -7.5000003E-02
 C    6.226200       2.576000      0.6659000    
 C    2.143700       1.575200     -0.1988000    
 C    1.946500      0.1776000     -0.7423000    
 C  -0.3231000      9.8200001E-02  0.3344000    
 C   0.9175000      -1.979200     -5.0999999E-02
 C  -0.2701000      -2.690200      0.1827000    
 C   -1.594400      -2.016600      0.1953000    
 C   -2.800600      0.1472000      4.5800000E-02
 C    2.123400      -2.702100     -8.9000002E-02
 C  -0.2415000      -4.086100      0.3529000    
 C    2.145100      -4.088900      8.1500001E-02
 C   0.9631000      -4.781200      0.3007000    
 C   -3.918700     -0.3998000     -0.5761000    
 C   -2.850300       1.428400      0.5870000    
 C   -5.097600      0.3412000     -0.6579000    
 C   -4.029200       2.169500      0.5054000    
 C   -5.153000       1.625900     -0.1170000    
 C   -6.291000       3.654400      0.3789000    
 H    4.206600     -0.1470000      0.1393000    
 H    4.105100      0.9475000       1.506200    
 H    3.569700       3.391300       1.148100    
 H    3.277300       3.944800     -0.5047000    
 H    6.155000      0.9667000     -0.7666000    
 H    6.429300      0.4431000      0.8943000    
 H    5.539400       4.586100      0.2924000    
 H    5.596900       3.564100      -1.142400    
 H    6.095800       2.704500       1.747400    
 H    7.281000       2.770100      0.4429000    
 H    1.814300       1.643900      0.8438000    
 H    1.550000       2.261300     -0.8130000    
 H  -0.3891000       1.077500     -0.1496000    
 H  -0.1758000      0.2345000       1.413000    
 H    3.078200      -2.205100     -0.2297000    
 H   -1.152100      -4.654700      0.5245000    
 H    3.090300      -4.623200      4.8900001E-02
 H   0.9774000      -5.858700      0.4338000    
 H   -3.908100      -1.370000      -1.061000    
 H   -2.008700       1.878100       1.105000    
 H   -5.966500     -8.2300000E-02  -1.154400    
 H   -4.005400       3.157800      0.9519000    
 H   -5.576500       4.310400     -0.1298000    
 H   -6.123300       3.617000       1.460600    
 H   -7.285900       4.085000      0.2245000    


%chk=000063413-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063413

0 1
O 3.147041 -1.073099 -0.397257
O -2.654106 -2.650197 -0.751931
O -5.015447 3.286422 -0.614049
N 3.207258 1.728537 -0.028156
N 1.022812 -1.320501 0.538116
N -1.376864 -0.975335 0.303394
C 4.452575 1.464406 0.739656
C 2.913048 3.181937 -0.124093
C 5.658060 2.172246 0.090364
C 4.074865 3.932701 -0.805170
C 5.401843 3.689768 -0.050498
C 2.051453 0.969941 0.454471
C 2.142637 -0.544531 0.148878
C -0.190653 -0.766766 1.167269
C 0.898343 -2.727283 0.270180
C -0.420893 -3.212793 0.015255
C -1.586342 -2.286914 -0.172339
C -2.318827 0.095251 0.106748
C 1.994222 -3.623953 0.273303
C -0.626416 -4.597186 -0.200811
C 1.765291 -4.999297 0.059141
C 0.457737 -5.493617 -0.170378
C -3.009695 0.235471 -1.129103
C -2.552879 1.041852 1.132592
C -3.897523 1.303033 -1.326209
C -3.435305 2.128043 0.934885
C -4.112885 2.259463 -0.300671
C -5.289049 4.283838 0.422424
H 4.621950 0.375956 0.755032
H 4.341353 1.820115 1.800516
H 2.735741 3.629853 0.891574
H 1.984040 3.314146 -0.711021
H 5.826968 1.728309 -0.908937
H 6.562611 1.982760 0.699691
H 3.837981 5.013439 -0.846345
H 4.168640 3.567054 -1.845510
H 5.341532 4.149963 0.958133
H 6.241875 4.178848 -0.578853
H 1.887407 1.096105 1.561906
H 1.147600 1.370820 -0.045675
H -0.075515 0.306713 1.350067
H -0.335836 -1.280685 2.139338
H 3.003924 -3.245237 0.432252
H -1.645579 -4.931652 -0.419380
H 2.616252 -5.689167 0.073834
H 0.293479 -6.563277 -0.335644
H -2.859219 -0.501805 -1.919808
H -2.075508 0.929017 2.112794
H -4.435386 1.419245 -2.271695
H -3.593675 2.841102 1.749109
H -4.370415 4.835358 0.703898
H -5.732618 3.817112 1.323650
H -6.012905 4.977375 -0.029638


